Mohamed S OthmanRafaqat HussainFazal RahimHayat UllahShoaib KhanMuhammad TahaMohamed A FareidAnas T AltalebShimaa M AboelnagaSyed Adnan Ali Shah2024-11-212024-11-212024-09-13Othman, M. S., Hussain, R., Rahim, F., Ullah, H., Khan, S., Taha, M., Fareid, M. A., Altaleb, A. T., Aboelnaga, S. M., & Shah, S. a. A. (2024). Synthesis, biological and computational evaluation of benzoxazole hybrid analogs as potential anti-Alzheimer’s agents. Future Medicinal Chemistry, 1–11. https://doi.org/10.1080/17568919.2024.2393569https://doi.org/10.1080/17568919.2024.2393569https://repository.msa.edu.eg/handle/123456789/6251Aim: Current study aims exploration of bis-benzoxazole bearing bis-Schiff base scaffolds (1–16) as anti-Alzheimer's agents. Materials & methods: 2-aminophenol is used as starting materials which react with different reagents in different step to give us bis-benzoxazole bearing bis-Schiff base analogs. NMR and HREI-MS techniques were used for characterization. All derivatives demonstrated varied range of activities with IC50 values 1.10 ± 0.40–24.50 ± 0.90 μM against acetylcholinesterase (AChE) and 1.90 ± 0.70–28.60 ± 0.60 μM against butyrylcholinesterase (BuChE) in contrast to donepezil. In both cases, analog-3 was found most potent. Molecular docking explored modes of interactions between scaffolds and receptor sites of targeted enzymes. Conclusion: This study offering promising approach for optimization and development of potent inhibitors of cholinesterase enzymes. © 2024 Informa UK Limited, trading as Taylor & Francis Group.en-USAChEbenzoxazoleBuChEmolecular dockingSARSchiff baseArticlehttps://doi.org/10.1080/17568919.2024.2393569